1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol

C16H24O4 — CID 103448377

IUPAC1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCCOc1ccc(C(O)C2(O)CCCC2)cc1OCC
InChIInChI=1S/C16H24O4/c1-3-19-13-8-7-12(11-14(13)20-4-2)15(17)16(18)9-5-6-10-16/h7-8,11,15,17-18H,3-6,9-10H2,1-2H3
InChIKeyQFXHQYZPEXUMFH-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.82
Rot. Bonds6

About 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol

1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol (PubChem CID 103448377) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
PubChem CID103448377
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCCOc1ccc(C(O)C2(O)CCCC2)cc1OCC
InChIInChI=1S/C16H24O4/c1-3-19-13-8-7-12(11-14(13)20-4-2)15(17)16(18)9-5-6-10-16/h7-8,11,15,17-18H,3-6,9-10H2,1-2H3
InChIKeyQFXHQYZPEXUMFH-UHFFFAOYSA-N
XLogP2.82
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol
CID 79126174
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
CID 62905165
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol (CID 103448377) is 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol is CCOc1ccc(C(O)C2(O)CCCC2)cc1OCC.
What is the InChIKey of 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
The InChIKey is QFXHQYZPEXUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-19-13-8-7-12(11-14(13)20-4-2)15(17)16(18)9-5-6-10-16/h7-8,11,15,17-18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 103448377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).